SCHEMBL6609750

SCHEMBL6609750

COc1cnc(CC#N)cc1OC1CCOC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.44
PDE4D Q08499 13/20 0.44
PDE4A P27815 9/20 0.44
PDE4C Q08493 8/20 0.44
CHEK1 O14757 1/20 0.41
ERBB2 P04626 1/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6606335 0.85 PDE4D (0.50) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6606836 0.84 PDE4D (0.46) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6605575 0.84 PDE4B (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL7149759 0.78 PDE4D (0.54) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6606602 0.77 PDE4B (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL6607633 0.77 PDE4D (0.51) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL7145602 0.75 PDE4B (0.42) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL7357361 0.74 PDE4D (0.52) PDE4BPDE4DPDE4APDE4C
SCHEMBL7152154 0.74 PDE4D (0.47) PDE4BPDE4DPDE4APDE4CERBB2
SCHEMBL7361106 0.73 PDE4D (0.51) PDE4BPDE4DPDE4APDE4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed